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CHEBI:172665 - 6-Hydroxymelatonin glucuronide

ChEBI IDCHEBI:172665
ChEBI Name6-Hydroxymelatonin glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O9
Net Charge0
Average Mass424.406
Monoisotopic Mass424.14818
SMILESCO[C@]1(C(=O)O)O[C@@H](Oc2ccc3ccnc3c2)[C@H](O)[C@](O)(CCNC(C)=O)[C@@H]1O
InChIInChI=1S/C19H24N2O9/c1-10(22)20-8-6-18(27)14(23)15(30-19(28-2,16(18)24)17(25)26)29-12-4-3-11-5-7-21-13(11)9-12/h3-5,7,9,14-16,21,23-24,27H,6,8H2,1-2H3,(H,20,22)(H,25,26)/t14-,15+,16-,18+,19-/m0/s1
InChIKeyABFAMHIWAGQWGO-CTRAYCPCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
6-Hydroxymelatonin glucuronide (CHEBI:172665) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4R,5R,6R)-4-(2-acetamidoethyl)-3,4,5-trihydroxy-6-(1H-indol-6-yloxy)-2-methoxyoxane-2-carboxylic acid
Manual XrefsDatabases
2300465ChemSpider
Registry NumbersSources
CAS:94840-69-4ChemIDplus